2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

C18H20N2O4S2 — CID 602438

IUPAC2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C18H20N2O4S2/c1-24-17-11-14(25-2)5-6-15(17)18(21)19-13-4-7-16-12(10-13)8-9-20(16)26(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyZVCDBHMUIAEATN-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.99
Rot. Bonds5

About 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (PubChem CID 602438) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
PubChem CID602438
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C18H20N2O4S2/c1-24-17-11-14(25-2)5-6-15(17)18(21)19-13-4-7-16-12(10-13)8-9-20(16)26(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyZVCDBHMUIAEATN-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-Dihydro-indol-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)-methanone
CID 602616
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
2-methoxy-4-(methylsulfanyl)-N-phenylbenzamide
CID 669865
N-(2-cyanophenyl)-2-methoxy-4-(methylsulfanyl)benzamide
CID 670182
N-(2,4-dimethylphenyl)-2-methoxy-4-(methylthio)benzamide
CID 885007
N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3618239
2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4881669
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 9107103
N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 2116438
N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2124983
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 40219779
2-methoxy-4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077849

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (CID 602438) is 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The InChIKey is ZVCDBHMUIAEATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-24-17-11-14(25-2)5-6-15(17)18(21)19-13-4-7-16-12(10-13)8-9-20(16)26(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 602438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).